SCHEMBL8445295

SCHEMBL8445295

O=S(=O)([O-])c1ccc2ccccc2c1O.O=S(=O)([O-])c1ccc2ccccc2c1O.O=S(=O)([O-])c1ccc2ccccc2c1O.[Al+3]

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTRB1 P17538 1/20 0.49
PTPN22 Q9Y2R2 1/20 0.48
LDHA P00338 1/20 0.46
ERN1 O75460 1/20 0.46
THRB P10828 1/20 0.45
CHEK1 O14757 1/20 0.44
CDK8 P49336 1/20 0.44
NEK2 P51955 1/20 0.44
LIMK1 P53667 1/20 0.44
NR4A1 P22736 1/20 0.41
F2 P00734 1/20 0.41
PRSS1 P07477 1/20 0.41
PRSS2 P07478 1/20 0.41
PRSS3 P35030 1/20 0.41
MEN1 O00255 1/20 0.41
MAPT P10636 1/20 0.41
KMT2A Q03164 1/20 0.41
HCRTR1 O43613 1/20 0.41
HTR6 P50406 1/20 0.41
MPL P40238 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2880574 0.98 PTPN22 (0.50) CTRB1PTPN22LDHAERN1THRB
SCHEMBL339569 0.96 CTRB1 (0.49) CTRB1PTPN22LDHAERN1THRB
Potassium Ion SCHEMBL31385186 0.96 CTRB1 (0.49) CTRB1PTPN22LDHAERN1THRB
SCHEMBL3169181 0.96 CTRB1 (0.49) CTRB1PTPN22LDHAERN1THRB
Potassium Ion SCHEMBL1819744 0.96 CTRB1 (0.49) CTRB1PTPN22LDHAERN1THRB
Hydrochloric Acid SCHEMBL27766336 0.81 CTRB1 (0.64) CTRB1PTPN22LDHAERN1CHEK1
SCHEMBL88069 0.81 CTRB1 (0.64) CTRB1PTPN22LDHAERN1CHEK1
SCHEMBL30383446 0.81 CTRB1 (0.64) CTRB1PTPN22LDHAERN1CHEK1
Potassium SCHEMBL2292044 0.79 CTRB1 (0.62) CTRB1PTPN22LDHAERN1CHEK1
SCHEMBL5145547 0.79 CA1 (0.60) CTRB1PTPN22LDHAERN1MEN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0952814-A1 ALUM-BASED DEODORANT PRODUCT AND PROCESS FOR PRODUCING THE SAME Henkel Kommanditgesellschaft auf Aktien (DE) 1999-11-03 EP disclosed
WO-1997023197-A1 ALUM-BASED DEODORANT PRODUCT AND PROCESS FOR PRODUCING THE SAME HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1997-07-03 WO disclosed